N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-4-ethylbenzenesulfonamide

C17H22N2O4S2 — CID 35569452

IUPACN-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2N2C(=O)CSC2=O)cc1
InChIInChI=1S/C17H22N2O4S2/c1-2-12-7-9-13(10-8-12)25(22,23)18-14-5-3-4-6-15(14)19-16(20)11-24-17(19)21/h7-10,14-15,18H,2-6,11H2,1H3/t14-,15+/m1/s1
InChIKeyFFVIJWHISBSCPU-CABCVRRESA-N
MW382.51 g/mol
LogP2.53
Rot. Bonds5

About N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-4-ethylbenzenesulfonamide

N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-4-ethylbenzenesulfonamide (PubChem CID 35569452) has the molecular formula C17H22N2O4S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-4-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-4-ethylbenzenesulfonamide
PubChem CID35569452
Molecular FormulaC17H22N2O4S2
Molecular Weight382.51 g/mol
Exact Mass382.10
IUPAC NameN-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2N2C(=O)CSC2=O)cc1
InChIInChI=1S/C17H22N2O4S2/c1-2-12-7-9-13(10-8-12)25(22,23)18-14-5-3-4-6-15(14)19-16(20)11-24-17(19)21/h7-10,14-15,18H,2-6,11H2,1H3/t14-,15+/m1/s1
InChIKeyFFVIJWHISBSCPU-CABCVRRESA-N
XLogP2.53
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

N-[(1S,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2,5-dimethylbenzenesulfonamide
CID 35569450
4-ethyl-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103835956
N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-4-methylbenzamide
CID 35569340
N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-4-ethylbenzenesulfonamide
CID 113065868
N-(cyclohexylmethyl)-4-ethylbenzenesulfonamide
CID 3776153
4-ethyl-N-(1-methylsulfonylpiperidin-4-yl)benzenesulfonamide
CID 110714982
4-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 2975212
4-chloro-N-[(1S,2S)-2-(4-propylpiperazin-1-yl)cyclohexyl]benzenesulfonamide
CID 92669885
N-(2-ethylcyclohexyl)-4-ethylsulfonylbenzenesulfonamide
CID 60530988
4-(cyanomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 104922414
N-(2-aminocyclopentyl)-4-propylbenzenesulfonamide
CID 63251903
4-methoxy-N-[(1S,2S)-2-[(4-methoxyphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 101075407

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-4-ethylbenzenesulfonamide?
The IUPAC name of N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-4-ethylbenzenesulfonamide (CID 35569452) is N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-4-ethylbenzenesulfonamide.
What is the SMILES notation for N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-4-ethylbenzenesulfonamide?
The canonical SMILES for N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2N2C(=O)CSC2=O)cc1.
What is the InChIKey of N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-4-ethylbenzenesulfonamide?
The InChIKey is FFVIJWHISBSCPU-CABCVRRESA-N. The full InChI is InChI=1S/C17H22N2O4S2/c1-2-12-7-9-13(10-8-12)25(22,23)18-14-5-3-4-6-15(14)19-16(20)11-24-17(19)21/h7-10,14-15,18H,2-6,11H2,1H3/t14-,15+/m1/s1.
What are the key properties of N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-4-ethylbenzenesulfonamide?
N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-4-ethylbenzenesulfonamide has a molecular weight of 382.51 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-4-ethylbenzenesulfonamide is sourced from PubChem (CID 35569452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).